N-{4-[4-(2-phenylbutanoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[4-(2-phenylbutanoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[4-(2-phenylbutanoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V024-7293 |
| Compound Name: | N-{4-[4-(2-phenylbutanoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 568.67 |
| Molecular Formula: | C33 H36 N4 O5 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(CC1)c1ccc(cc1C(N1CCCC1)=O)NC(c1ccc2c(c1)OCO2)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9838 |
| logD: | 4.9838 |
| logSw: | -4.4991 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.067 |
| InChI Key: | CFWYPWQRCRMOBW-AREMUKBSSA-N |